3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide

C22H28N2O3S — CID 1211169

IUPAC3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17-7-12-19(13-8-17)23-22(25)16-11-18-9-14-21(15-10-18)28(26,27)24-20-5-3-2-4-6-20/h7-10,12-15,20,24H,2-6,11,16H2,1H3,(H,23,25)
InChIKeyBGESRTVIDMTTHW-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.18
Rot. Bonds7

About 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide

3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide (PubChem CID 1211169) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide
PubChem CID1211169
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17-7-12-19(13-8-17)23-22(25)16-11-18-9-14-21(15-10-18)28(26,27)24-20-5-3-2-4-6-20/h7-10,12-15,20,24H,2-6,11,16H2,1H3,(H,23,25)
InChIKeyBGESRTVIDMTTHW-UHFFFAOYSA-N
XLogP4.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide (CID 1211169) is 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1.
What is the InChIKey of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide?
The InChIKey is BGESRTVIDMTTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17-7-12-19(13-8-17)23-22(25)16-11-18-9-14-21(15-10-18)28(26,27)24-20-5-3-2-4-6-20/h7-10,12-15,20,24H,2-6,11,16H2,1H3,(H,23,25).
What are the key properties of 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide?
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide has a molecular weight of 400.54 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 1211169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).